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Substance Name: Benzeneacetic acid, 4-(7-nitro-2H-1,4-benzoxazin-3-yl)amino-, methyl ester
RN: 109226-95-1
InChIKey: NPKWWRYJHDUHDO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N3-O5

Molecular Weight

  • 341.3215
 
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Names and Synonyms

Synonyms

  • BRN 6003676
  • Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)aminobenzeneacetate

Systematic Name

  • Benzeneacetic acid, 4-(7-nitro-2H-1,4-benzoxazin-3-yl)amino-, methyl ester

Registry Numbers

CAS Registry Number

  • 109226-95-1

System Generated Number

  • 0109226951

Structure Descriptors

InChI

1S/C17H15N3O5/c1-24-17(21)8-11-2-4-12(5-3-11)18-16-10-25-15-9-13(20(22)23)6-7-14(15)19-16/h2-7,9H,8,10H2,1H3,(H,18,19)

InChIKey

NPKWWRYJHDUHDO-UHFFFAOYSA-N

Smiles

COC(=O)Cc1ccc(cc1)NC2=Nc3ccc(cc3OC2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 25, Pg. 986, 1986.